Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:5951 - Iopanoic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Iopanoic acid
ChEBI ID
CHEBI:5951
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formulae
C11H12I3NO2
C11H12I3NO2
Net Charge
0
Average Mass
570.932
Monoisotopic Mass
570.80021
InChI
InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
InChIKey
OIRFJRBSRORBCM-UHFFFAOYSA-N
SMILES
CCC(Cc1c(I)cc(I)c(N)c1I)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Iopanoic acid (
CHEBI:5951
)
is a
monocarboxylic acid (
CHEBI:25384
)
Synonyms
Sources
iodopanic acid
DrugCentral
iodopanoic acid
DrugCentral
Iopanoic acid
KEGG COMPOUND
iopanoicum
DrugCentral
Manual Xrefs
Databases
1465
DrugCentral
C08217
KEGG COMPOUND
D01014
KEGG DRUG
LSM-1545
LINCS
View more database links
Registry Number
Type
Source
96-83-3
CAS Registry Number
KEGG COMPOUND
Last Modified
22 February 2017